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Fix more options not yet removed
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Refs #10850
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@DanNixon
DanNixon committed Jan 20, 2015
1 parent 6c02875 commit fcbd61e
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Showing 2 changed files with 87 additions and 88 deletions.
5 changes: 2 additions & 3 deletions Code/Mantid/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/Fury.py
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Expand Up @@ -131,8 +131,7 @@ def _calculate_parameters(self):
% (analyserName, instrument))
resolution = instrument.getNumberParameter('resolution')[0]

if self._verbose:
logger.information('Got resolution from IPF: %f' % resolution)
logger.information('Got resolution from IPF: %f' % resolution)

except (AttributeError, IndexError):
resolution = 0.0175
Expand Down Expand Up @@ -192,7 +191,7 @@ def _fury(self):
from IndirectCommon import CheckHistZero, CheckHistSame, CheckAnalysers

# Process resolution data
CheckAnalysers(self._sample, self._resolution, self._verbose)
CheckAnalysers(self._sample, self._resolution, True)
num_res_hist = CheckHistZero(self._resolution)[0]
if num_res_hist > 1:
CheckHistSame(self._sample, 'Sample', self._resolution, 'Resolution')
Expand Down
170 changes: 85 additions & 85 deletions Code/Mantid/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/SofQWMoments.py
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Expand Up @@ -10,117 +10,117 @@
class SofQWMoments(DataProcessorAlgorithm):

def category(self):
return "Workflow\\MIDAS;PythonAlgorithms"
return "Workflow\\MIDAS;PythonAlgorithms"

def summary (self):
return "Calculates the nth moment of y(q,w)"
return "Calculates the nth moment of y(q,w)"

def PyInit(self):
self.declareProperty(MatrixWorkspaceProperty("Sample", "", Direction.Input), doc="Sample to use.")
self.declareProperty(name='EnergyMin', defaultValue=-0.5, doc='Minimum energy for fit. Default=-0.5')
self.declareProperty(name='EnergyMax', defaultValue=0.5, doc='Maximum energy for fit. Default=0.5')
self.declareProperty(name='Scale', defaultValue=1.0, doc='Scale factor to multiply y(Q,w). Default=1.0')
self.declareProperty(name='Plot', defaultValue=False, doc='Switch Plot Off/On')
self.declareProperty(name='Save', defaultValue=False, doc='Switch Save result to nxs file Off/On')
self.declareProperty(MatrixWorkspaceProperty("Sample", "", Direction.Input), doc="Sample to use.")
self.declareProperty(name='EnergyMin', defaultValue=-0.5, doc='Minimum energy for fit. Default=-0.5')
self.declareProperty(name='EnergyMax', defaultValue=0.5, doc='Maximum energy for fit. Default=0.5')
self.declareProperty(name='Scale', defaultValue=1.0, doc='Scale factor to multiply y(Q,w). Default=1.0')
self.declareProperty(name='Plot', defaultValue=False, doc='Switch Plot Off/On')
self.declareProperty(name='Save', defaultValue=False, doc='Switch Save result to nxs file Off/On')

self.declareProperty(WorkspaceGroupProperty("OutputWorkspace", "", Direction.Output), doc="group_workspace workspace that includes all calculated moments.")
self.declareProperty(WorkspaceGroupProperty("OutputWorkspace", "", Direction.Output), doc="group_workspace workspace that includes all calculated moments.")

def PyExec(self):
from IndirectCommon import CheckHistZero, CheckElimits, StartTime, EndTime, getDefaultWorkingDirectory
from IndirectCommon import CheckHistZero, CheckElimits, StartTime, EndTime, getDefaultWorkingDirectory

sample_workspace = self.getPropertyValue('Sample')
output_workspace = self.getPropertyValue('OutputWorkspace')
factor = self.getProperty('Scale').value
emin = self.getProperty('EnergyMin').value
emax = self.getProperty('EnergyMax').value
erange = [emin, emax]
sample_workspace = self.getPropertyValue('Sample')
output_workspace = self.getPropertyValue('OutputWorkspace')
factor = self.getProperty('Scale').value
emin = self.getProperty('EnergyMin').value
emax = self.getProperty('EnergyMax').value
erange = [emin, emax]

Plot = self.getProperty('Plot').value
Save = self.getProperty('Save').value
Plot = self.getProperty('Plot').value
Save = self.getProperty('Save').value

StartTime('SofQWMoments')
num_spectra,num_w = CheckHistZero(sample_workspace)
StartTime('SofQWMoments')
num_spectra,num_w = CheckHistZero(sample_workspace)

logger.information('Sample %s has %d Q values & %d w values' % (sample_workspace, num_spectra, num_w))

x = np.asarray(mtd[sample_workspace].readX(0))
CheckElimits(erange,x)
x = np.asarray(mtd[sample_workspace].readX(0))
CheckElimits(erange,x)

samWS = '__temp_sqw_moments_cropped'
CropWorkspace(InputWorkspace=sample_workspace, OutputWorkspace=samWS, XMin=erange[0], XMax=erange[1])
samWS = '__temp_sqw_moments_cropped'
CropWorkspace(InputWorkspace=sample_workspace, OutputWorkspace=samWS, XMin=erange[0], XMax=erange[1])

logger.information('Energy range is %f to %f' % (erange[0], erange[1]))

if factor > 0.0:
Scale(InputWorkspace=samWS, OutputWorkspace=samWS, Factor=factor, Operation='Multiply')
if factor > 0.0:
Scale(InputWorkspace=samWS, OutputWorkspace=samWS, Factor=factor, Operation='Multiply')
logger.information('y(q,w) scaled by %f' % factor)

#calculate delta x
ConvertToPointData(InputWorkspace=samWS, OutputWorkspace=samWS)
x = np.asarray(mtd[samWS].readX(0))
x_workspace = CreateWorkspace(OutputWorkspace="__temp_sqw_moments_x", DataX=x, DataY=x, UnitX="DeltaE")

#calculate moments
m0 = output_workspace + '_M0'
m1 = output_workspace + '_M1'
m2 = output_workspace + '_M2'
m3 = output_workspace + '_M3'
m4 = output_workspace + '_M4'

Multiply(x_workspace, samWS, OutputWorkspace=m1)
Multiply(x_workspace, m1, OutputWorkspace=m2)
Multiply(x_workspace, m2, OutputWorkspace=m3)
Multiply(x_workspace, m3, OutputWorkspace=m4)
DeleteWorkspace(m3)

ConvertToHistogram(InputWorkspace=samWS, OutputWorkspace=samWS)
Integration(samWS, OutputWorkspace=m0)

moments = [m1, m2, m4]
for moment_ws in moments:
ConvertToHistogram(InputWorkspace=moment_ws, OutputWorkspace=moment_ws)
Integration(moment_ws, OutputWorkspace=moment_ws)
Divide(moment_ws, m0, OutputWorkspace=moment_ws)

DeleteWorkspace(samWS)
DeleteWorkspace(x_workspace)

#create output workspace
extensions = ['_M0', '_M1', '_M2', '_M4']
for ext in extensions:
ws_name = output_workspace+ext
Transpose(InputWorkspace=ws_name, OutputWorkspace=ws_name)
ConvertToHistogram(InputWorkspace=ws_name, OutputWorkspace=ws_name)
ConvertUnits(InputWorkspace=ws_name, OutputWorkspace=ws_name, Target='MomentumTransfer', EMode='Indirect')

CopyLogs(InputWorkspace=sample_workspace, OutputWorkspace=ws_name)
AddSampleLog(Workspace=ws_name, LogName="energy_min", LogType="Number", LogText=str(emin))
AddSampleLog(Workspace=ws_name, LogName="energy_max", LogType="Number", LogText=str(emax))
AddSampleLog(Workspace=ws_name, LogName="scale_factor", LogType="Number", LogText=str(factor))

# Group output workspace
group_workspaces = ','.join([output_workspace+ext for ext in extensions])
GroupWorkspaces(InputWorkspaces=group_workspaces, OutputWorkspace=output_workspace)

if Save:
workdir = getDefaultWorkingDirectory()
opath = os.path.join(workdir,output_workspace+'.nxs')
SaveNexusProcessed(InputWorkspace=output_workspace, Filename=opath)
#calculate delta x
ConvertToPointData(InputWorkspace=samWS, OutputWorkspace=samWS)
x = np.asarray(mtd[samWS].readX(0))
x_workspace = CreateWorkspace(OutputWorkspace="__temp_sqw_moments_x", DataX=x, DataY=x, UnitX="DeltaE")

#calculate moments
m0 = output_workspace + '_M0'
m1 = output_workspace + '_M1'
m2 = output_workspace + '_M2'
m3 = output_workspace + '_M3'
m4 = output_workspace + '_M4'

Multiply(x_workspace, samWS, OutputWorkspace=m1)
Multiply(x_workspace, m1, OutputWorkspace=m2)
Multiply(x_workspace, m2, OutputWorkspace=m3)
Multiply(x_workspace, m3, OutputWorkspace=m4)
DeleteWorkspace(m3)

ConvertToHistogram(InputWorkspace=samWS, OutputWorkspace=samWS)
Integration(samWS, OutputWorkspace=m0)

moments = [m1, m2, m4]
for moment_ws in moments:
ConvertToHistogram(InputWorkspace=moment_ws, OutputWorkspace=moment_ws)
Integration(moment_ws, OutputWorkspace=moment_ws)
Divide(moment_ws, m0, OutputWorkspace=moment_ws)

DeleteWorkspace(samWS)
DeleteWorkspace(x_workspace)

#create output workspace
extensions = ['_M0', '_M1', '_M2', '_M4']
for ext in extensions:
ws_name = output_workspace+ext
Transpose(InputWorkspace=ws_name, OutputWorkspace=ws_name)
ConvertToHistogram(InputWorkspace=ws_name, OutputWorkspace=ws_name)
ConvertUnits(InputWorkspace=ws_name, OutputWorkspace=ws_name, Target='MomentumTransfer', EMode='Indirect')

CopyLogs(InputWorkspace=sample_workspace, OutputWorkspace=ws_name)
AddSampleLog(Workspace=ws_name, LogName="energy_min", LogType="Number", LogText=str(emin))
AddSampleLog(Workspace=ws_name, LogName="energy_max", LogType="Number", LogText=str(emax))
AddSampleLog(Workspace=ws_name, LogName="scale_factor", LogType="Number", LogText=str(factor))

# Group output workspace
group_workspaces = ','.join([output_workspace+ext for ext in extensions])
GroupWorkspaces(InputWorkspaces=group_workspaces, OutputWorkspace=output_workspace)

if Save:
workdir = getDefaultWorkingDirectory()
opath = os.path.join(workdir,output_workspace+'.nxs')
SaveNexusProcessed(InputWorkspace=output_workspace, Filename=opath)
logger.information('Output file : ' + opath)

if Plot:
self._plot_moments(output_workspace)
if Plot:
self._plot_moments(output_workspace)

self.setProperty("OutputWorkspace", output_workspace)
self.setProperty("OutputWorkspace", output_workspace)

EndTime('SofQWMoments')
EndTime('SofQWMoments')

def _plot_moments(self, inputWS):
from IndirectImport import import_mantidplot
mp = import_mantidplot()
from IndirectImport import import_mantidplot
mp = import_mantidplot()

mp.plotSpectrum(inputWS+'_M0', 0)
mp.plotSpectrum([inputWS+'_M2', inputWS+'_M4'], 0)
mp.plotSpectrum(inputWS+'_M0', 0)
mp.plotSpectrum([inputWS+'_M2', inputWS+'_M4'], 0)

# Register algorithm with Mantid
AlgorithmFactory.subscribe(SofQWMoments)

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